5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene

C32H20 — CID 140710779

IUPAC5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
SMILESc1ccc2cc(-c3ccc4ccc5ccc6ccc7ccccc7c6c5c4c3)ccc2c1
InChIInChI=1S/C32H20/c1-2-7-26-19-27(17-9-21(26)5-1)28-18-12-23-11-14-25-16-15-24-13-10-22-6-3-4-8-29(22)31(24)32(25)30(23)20-28/h1-20H
InChIKeyJRSLHWVXZDYZRR-UHFFFAOYSA-N
MW404.51 g/mol
LogP9.12
Rot. Bonds1

About 5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene

5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene (PubChem CID 140710779) has the molecular formula C32H20 and a molecular weight of 404.51 g/mol. Its IUPAC name is 5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene.

Molecular Properties

Compound Name5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
PubChem CID140710779
Molecular FormulaC32H20
Molecular Weight404.51 g/mol
Exact Mass404.16
IUPAC Name5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
SMILESc1ccc2cc(-c3ccc4ccc5ccc6ccc7ccccc7c6c5c4c3)ccc2c1
InChIInChI=1S/C32H20/c1-2-7-26-19-27(17-9-21(26)5-1)28-18-12-23-11-14-25-16-15-24-13-10-22-6-3-4-8-29(22)31(24)32(25)30(23)20-28/h1-20H
InChIKeyJRSLHWVXZDYZRR-UHFFFAOYSA-N
XLogP9.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 59.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-naphthalen-2-ylphenanthrene
CID 90738367
5-(4-chlorophenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene
CID 177100588
3-naphthalen-2-yl-9-pyren-2-ylchrysene
CID 140818399
2-(3-naphthalen-2-yl-5-triphenylen-2-ylphenyl)triphenylene
CID 123747688
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-naphthalen-2-yl-6-phenylnaphthalen-2-amine
CID 167183089
5-(10-benzo[c]phenanthren-5-yl-2-naphthalen-2-ylanthracen-9-yl)benzo[c]phenanthrene
CID 59622690
ethane;2-[6-(6-picen-2-ylnaphthalen-2-yl)naphthalen-2-yl]picene
CID 144660008
3-(6-naphthalen-2-ylnaphthalen-2-yl)-9-phenylchrysene
CID 123868192
3-(6-phenanthren-3-ylphenanthren-2-yl)chrysene
CID 123221048
2,7-di(phenanthren-2-yl)triphenylene
CID 58160997
3-(7-phenanthren-2-ylphenanthren-2-yl)chrysene
CID 123286443
10-naphthalen-2-yl-7H-benzo[c]carbazole
CID 144640313

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene?
The IUPAC name of 5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene (CID 140710779) is 5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene.
What is the SMILES notation for 5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene?
The canonical SMILES for 5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene is c1ccc2cc(-c3ccc4ccc5ccc6ccc7ccccc7c6c5c4c3)ccc2c1.
What is the InChIKey of 5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene?
The InChIKey is JRSLHWVXZDYZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20/c1-2-7-26-19-27(17-9-21(26)5-1)28-18-12-23-11-14-25-16-15-24-13-10-22-6-3-4-8-29(22)31(24)32(25)30(23)20-28/h1-20H.
What are the key properties of 5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene?
5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene has a molecular weight of 404.51 g/mol, XLogP of 9.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-ylpentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaene is sourced from PubChem (CID 140710779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).